MMsINC Database Search


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MMsINC code: MMs02213997

Type: Neutral
Formula: C₁₅H₁₁ClN₂O

SMILES:

Clc1cc2nccc(Nc3ccc(O)cc3)c2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6085 kcal/mol

Physical Properties
Molecular Weight: 270.719 g/mol	logS: -3.96608	SlogP: 4.3374	Reactive groups: 0

Topological Properties
Globularity: 0.0323472	Sterimol/B1: 2.12029	Sterimol/B2: 3.47888	Sterimol/B3: 4.40461
Sterimol/B4: 4.60261	Sterimol/L: 15.977

Surface and Volume Properties
Accessible surface: 471.294	Positive charged surface: 245.054	Negative charged surface: 220.409	Volume: 244.375
Hydrophobic surface: 389.662	Hydrophilic surface: 81.632

Pharmacophoric Properties
Hydrogen bond donors: 2	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.