MMsINC Database Search


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MMsINC code: MMs02902888

Type: Neutral
Formula: C₁₅H₁₁ClN₂O

SMILES:

Clc1cc2c([nH]c(C(=O)N)c2-c2ccccc2)cc1

InChI:

InChI=1/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.2094 kcal/mol

Physical Properties
Molecular Weight: 270.719 g/mol	logS: -5.24049	SlogP: 3.5872	Reactive groups: 0

Topological Properties
Globularity: 0.0872788	Sterimol/B1: 3.34548	Sterimol/B2: 3.38425	Sterimol/B3: 4.77129
Sterimol/B4: 7.31318	Sterimol/L: 12.8223

Surface and Volume Properties
Accessible surface: 474.37	Positive charged surface: 229.906	Negative charged surface: 239.779	Volume: 245.375
Hydrophobic surface: 361.443	Hydrophilic surface: 112.927

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.