MMsINC Database Search


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MMsINC code: MMs00059260

Type: Neutral
Formula: C₁₅H₁₁ClN₂O

SMILES:

Clc1cc2c(NC(=O)CN=C2c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1301 kcal/mol

Physical Properties
Molecular Weight: 270.719 g/mol	logS: -4.63768	SlogP: 3.1295	Reactive groups: 0

Topological Properties
Globularity: 0.108642	Sterimol/B1: 2.67436	Sterimol/B2: 4.04696	Sterimol/B3: 5.51981
Sterimol/B4: 5.65898	Sterimol/L: 12.198

Surface and Volume Properties
Accessible surface: 469.793	Positive charged surface: 234.154	Negative charged surface: 235.638	Volume: 245.125
Hydrophobic surface: 390.502	Hydrophilic surface: 79.291

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.