MMsINC Database Search


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MMsINC code: MMs01215119

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(C(=O)c1[nH]c(C)c(C(=O)CN(C(=O)c2ccc(cc2)CCCC)CC)c1C)CC

InChI:

InChI=1/C24H32N2O4/c1-6-9-10-18-11-13-19(14-12-18)23(28)26(7-2)15-20(27)21-16(4)22(25-17(21)5)24(29)30-8-3/h11-14,25H,6-10,15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.263 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -5.65	SlogP: 4.49581	Reactive groups: 0

Topological Properties
Globularity: 0.170365	Sterimol/B1: 2.36405	Sterimol/B2: 3.35806	Sterimol/B3: 5.86689
Sterimol/B4: 11.9684	Sterimol/L: 16.4538

Surface and Volume Properties
Accessible surface: 739.754	Positive charged surface: 495.883	Negative charged surface: 243.872	Volume: 420.75
Hydrophobic surface: 561.631	Hydrophilic surface: 178.123

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.