MMsINC Database Search


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MMsINC code: MMs02702998

Type: Neutral
Formula: C₁₇H₁₈ClN

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.465 kcal/mol

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

Topological Properties
Globularity: 0.115924	Sterimol/B1: 2.14764	Sterimol/B2: 2.53897	Sterimol/B3: 5.03227
Sterimol/B4: 5.90317	Sterimol/L: 15.5603

Surface and Volume Properties
Accessible surface: 507.075	Positive charged surface: 285.58	Negative charged surface: 221.495	Volume: 272.875
Hydrophobic surface: 495.413	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.