MMsINC Database Search


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MMsINC code: MMs02143300

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O

SMILES:

Clc1cc(NC(=O)N2CCCc3c2cccc3)cc(Cl)c1

InChI:

InChI=1/C16H14Cl2N2O/c17-12-8-13(18)10-14(9-12)19-16(21)20-7-3-5-11-4-1-2-6-15(11)20/h1-2,4,6,8-10H,3,5,7H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9745 kcal/mol

Physical Properties
Molecular Weight: 321.207 g/mol	logS: -5.00028	SlogP: 4.97807	Reactive groups: 0

Topological Properties
Globularity: 0.023156	Sterimol/B1: 2.65454	Sterimol/B2: 3.02859	Sterimol/B3: 3.31184
Sterimol/B4: 7.07694	Sterimol/L: 15.2153

Surface and Volume Properties
Accessible surface: 530.797	Positive charged surface: 254.56	Negative charged surface: 276.237	Volume: 283.375
Hydrophobic surface: 502.26	Hydrophilic surface: 28.537

Pharmacophoric Properties
Hydrogen bond donors: 1	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.