MMsINC Database Search


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MMsINC code: MMs00855330

Type: Neutral
Formula: C₁₇H₁₈ClN

SMILES:

Clc1cc(N2Cc3cc(C)c(cc3C2)C)c(cc1)C

InChI:

InChI=1/C17H18ClN/c1-11-4-5-16(18)8-17(11)19-9-14-6-12(2)13(3)7-15(14)10-19/h4-8H,9-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.932 kcal/mol

Physical Properties
Molecular Weight: 271.791 g/mol	logS: -5.04519	SlogP: 5.31826	Reactive groups: 0

Topological Properties
Globularity: 0.118903	Sterimol/B1: 2.07442	Sterimol/B2: 3.04959	Sterimol/B3: 4.67208
Sterimol/B4: 7.70716	Sterimol/L: 14.407

Surface and Volume Properties
Accessible surface: 507.594	Positive charged surface: 284.348	Negative charged surface: 223.246	Volume: 272.75
Hydrophobic surface: 495.932	Hydrophilic surface: 11.662

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.