MMsINC Database Search


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MMsINC code: MMs02000910

Type: Neutral
Formula: C₂₄H₂₂ClNO₂

SMILES:

Clc1ccc(cc1)COc1c2c(ccc1)C(=O)N(CC2)Cc1ccc(cc1)C

InChI:

InChI=1/C24H22ClNO2/c1-17-5-7-18(8-6-17)15-26-14-13-21-22(24(26)27)3-2-4-23(21)28-16-19-9-11-20(25)12-10-19/h2-12H,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.385 kcal/mol

Physical Properties
Molecular Weight: 391.898 g/mol	logS: -6.40328	SlogP: 5.95869	Reactive groups: 0

Topological Properties
Globularity: 0.0740337	Sterimol/B1: 2.16852	Sterimol/B2: 4.07807	Sterimol/B3: 5.89791
Sterimol/B4: 7.30531	Sterimol/L: 19.9815

Surface and Volume Properties
Accessible surface: 685.05	Positive charged surface: 386.522	Negative charged surface: 298.528	Volume: 382.75
Hydrophobic surface: 647.426	Hydrophilic surface: 37.624

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.