MMsINC Database Search


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MMsINC code: MMs03285990

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₂

SMILES:

Clc1cc(C(=O)N\N=C\C(=C\c2ccccc2)\C)c(O)cc1

InChI:

InChI=1/C17H15ClN2O2/c1-12(9-13-5-3-2-4-6-13)11-19-20-17(22)15-10-14(18)7-8-16(15)21/h2-11,21H,1H3,(H,20,22)/b12-9-,19-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.805 kcal/mol

Physical Properties
Molecular Weight: 314.772 g/mol	logS: -4.43326	SlogP: 3.8647	Reactive groups: 0

Topological Properties
Globularity: 0.0197819	Sterimol/B1: 1.969	Sterimol/B2: 2.76229	Sterimol/B3: 2.90924
Sterimol/B4: 9.23119	Sterimol/L: 15.8038

Surface and Volume Properties
Accessible surface: 568.307	Positive charged surface: 289.786	Negative charged surface: 278.521	Volume: 292.75
Hydrophobic surface: 467.285	Hydrophilic surface: 101.022

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.