MMsINC Database Search


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MMsINC code: MMs01311015

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccc(cc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H23NO4/c1-17-13-14-21(28-2)20(15-17)25-22(26)16-29-24(27)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.374 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.99127	SlogP: 4.31742	Reactive groups: 0

Topological Properties
Globularity: 0.104331	Sterimol/B1: 2.61823	Sterimol/B2: 3.11603	Sterimol/B3: 6.99768
Sterimol/B4: 7.89925	Sterimol/L: 18.0927

Surface and Volume Properties
Accessible surface: 703.073	Positive charged surface: 442.627	Negative charged surface: 260.445	Volume: 385.75
Hydrophobic surface: 628.822	Hydrophilic surface: 74.251

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

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Ions/Tautomers related molecules: no related molecules available.