MMsINC Database Search


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MMsINC code: MMs00808005

Type: Neutral
Formula: C₂₄H₁₇ClN₂O₂

SMILES:

Clc1c2c3c(cc1)C(=O)N(CCNc1c4c(ccc1)cccc4)C(=O)c3ccc2

InChI:

InChI=1/C24H17ClN2O2/c25-20-12-11-19-22-17(20)8-4-9-18(22)23(28)27(24(19)29)14-13-26-21-10-3-6-15-5-1-2-7-16(15)21/h1-12,26H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.224 kcal/mol

Physical Properties
Molecular Weight: 400.865 g/mol	logS: -8.01558	SlogP: 5.3545	Reactive groups: 0

Topological Properties
Globularity: 0.0840542	Sterimol/B1: 3.49411	Sterimol/B2: 4.83598	Sterimol/B3: 4.8484
Sterimol/B4: 5.99928	Sterimol/L: 19.6782

Surface and Volume Properties
Accessible surface: 649.27	Positive charged surface: 313.504	Negative charged surface: 312.808	Volume: 367.125
Hydrophobic surface: 576.528	Hydrophilic surface: 72.742

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.