MMsINC Database Search


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MMsINC code: MMs00183591

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1c(NC(=O)C2CC(=O)N(C2)c2ccc(cc2)C)cccc1Cl

InChI:

InChI=1/C18H16Cl2N2O2/c1-11-5-7-13(8-6-11)22-10-12(9-16(22)23)18(24)21-15-4-2-3-14(19)17(15)20/h2-8,12H,9-10H2,1H3,(H,21,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7769 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.20715	SlogP: 4.29342	Reactive groups: 0

Topological Properties
Globularity: 0.019407	Sterimol/B1: 2.55238	Sterimol/B2: 3.64516	Sterimol/B3: 3.66815
Sterimol/B4: 5.41502	Sterimol/L: 19.1019

Surface and Volume Properties
Accessible surface: 594.334	Positive charged surface: 291.463	Negative charged surface: 302.872	Volume: 318.75
Hydrophobic surface: 528.202	Hydrophilic surface: 66.132

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.