MMsINC Database Search


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MMsINC code: MMs02708472

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO

SMILES:

Clc1cc(Cl)cc(CNc2ccc(cc2)C)c1OC

InChI:

InChI=1/C15H15Cl2NO/c1-10-3-5-13(6-4-10)18-9-11-7-12(16)8-14(17)15(11)19-2/h3-8,18H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4967 kcal/mol

Physical Properties
Molecular Weight: 296.197 g/mol	logS: -4.94212	SlogP: 5.18892	Reactive groups: 0

Topological Properties
Globularity: 0.0877324	Sterimol/B1: 3.36293	Sterimol/B2: 3.87067	Sterimol/B3: 5.02534
Sterimol/B4: 5.42496	Sterimol/L: 15.0504

Surface and Volume Properties
Accessible surface: 529.105	Positive charged surface: 267.28	Negative charged surface: 261.825	Volume: 275.375
Hydrophobic surface: 505.548	Hydrophilic surface: 23.557

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.