MMsINC Database Search


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MMsINC code: MMs00848616

Type: Neutral
Formula: C₁₆H₁₅ClN₂

SMILES:

Clc1ccccc1Cn1c2cc(C)c(cc2nc1)C

InChI:

InChI=1/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-5-3-4-6-14(13)17/h3-8,10H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6478 kcal/mol

Physical Properties
Molecular Weight: 270.763 g/mol	logS: -5.14862	SlogP: 4.62124	Reactive groups: 0

Topological Properties
Globularity: 0.109635	Sterimol/B1: 2.43051	Sterimol/B2: 4.64331	Sterimol/B3: 4.69094
Sterimol/B4: 4.92168	Sterimol/L: 13.3308

Surface and Volume Properties
Accessible surface: 485.127	Positive charged surface: 265.893	Negative charged surface: 219.233	Volume: 264.25
Hydrophobic surface: 446.522	Hydrophilic surface: 38.605

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

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Ions/Tautomers related molecules: no related molecules available.