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NCID-ZINC05437410

MMsINC code: MMs02461989

Type: Neutral
Formula: C₂₄H₃₄N₄O₇

SMILES:

O1CC(NC(OCc2ccccc2)=O)C(=O)NC(C)C(=O)NCCCCC(=O)NC(C(C)C)C1=O

InChI:

InChI=1/C24H34N4O7/c1-15(2)20-23(32)34-14-18(27-24(33)35-13-17-9-5-4-6-10-17)22(31)26-16(3)21(30)25-12-8-7-11-19(29)28-20/h4-6,9-10,15-16,18,20H,7-8,11-14H2,1-3H3,(H,25,30)(H,26,31)(H,27,33)(H,28,29)/t16-,18-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9267 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 490.557 g/mol	logS: -4.02597	SlogP: 1.0366	Reactive groups: 0

Topological Properties
Globularity: 0.0358522	Sterimol/B1: 2.46694	Sterimol/B2: 3.16087	Sterimol/B3: 3.51433
Sterimol/B4: 11.162	Sterimol/L: 19.8986

Surface and Volume Properties
Accessible surface: 779.196	Positive charged surface: 522.494	Negative charged surface: 256.702	Volume: 465
Hydrophobic surface: 558.516	Hydrophilic surface: 220.68

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.