MMsINC Database Search


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MMsINC code: MMs03966044

Type: Neutral
Formula: C₁₅H₁₁ClN₂O

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C15H11ClN2O/c16-11-6-7-13-10(8-11)9-14(18-13)15(19)17-12-4-2-1-3-5-12/h1-9,18H,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2938 kcal/mol

Physical Properties
Molecular Weight: 270.719 g/mol	logS: -4.53198	SlogP: 4.0736	Reactive groups: 0

Topological Properties
Globularity: 0.0122446	Sterimol/B1: 2.54958	Sterimol/B2: 2.61494	Sterimol/B3: 3.68564
Sterimol/B4: 4.14752	Sterimol/L: 17.1998

Surface and Volume Properties
Accessible surface: 493.116	Positive charged surface: 224.161	Negative charged surface: 263.252	Volume: 247.5
Hydrophobic surface: 426.59	Hydrophilic surface: 66.526

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.