MMsINC Database Search


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MMsINC code: MMs00578506

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)CNC(=O)C(=O)c1n2c(cc1-c1ccccc1)C=CC=C2

InChI:

InChI=1/C23H17ClN2O2/c24-18-11-9-16(10-12-18)15-25-23(28)22(27)21-20(17-6-2-1-3-7-17)14-19-8-4-5-13-26(19)21/h1-14H,15H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2825 kcal/mol

Physical Properties
Molecular Weight: 388.854 g/mol	logS: -6.33479	SlogP: 5.0715	Reactive groups: 0

Topological Properties
Globularity: 0.0597206	Sterimol/B1: 2.53111	Sterimol/B2: 3.4323	Sterimol/B3: 3.51787
Sterimol/B4: 11.1807	Sterimol/L: 17.7519

Surface and Volume Properties
Accessible surface: 664.861	Positive charged surface: 315.478	Negative charged surface: 349.383	Volume: 366.875
Hydrophobic surface: 597.73	Hydrophilic surface: 67.131

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: 1

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Ions/Tautomers related molecules: no related molecules available.