MMsINC Database Search


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MMsINC code: MMs02217021

Type: Neutral
Formula: C₁₅H₁₆ClN

SMILES:

Clc1cc(NCc2ccc(cc2)C)ccc1C

InChI:

InChI=1/C15H16ClN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6779 kcal/mol

Physical Properties
Molecular Weight: 245.753 g/mol	logS: -4.31792	SlogP: 4.83534	Reactive groups: 0

Topological Properties
Globularity: 0.0522659	Sterimol/B1: 3.47194	Sterimol/B2: 3.61779	Sterimol/B3: 3.61813
Sterimol/B4: 5.01747	Sterimol/L: 16.1243

Surface and Volume Properties
Accessible surface: 497.81	Positive charged surface: 270.506	Negative charged surface: 227.304	Volume: 252
Hydrophobic surface: 479.244	Hydrophilic surface: 18.566

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.