MMsINC Database Search


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MMsINC code: MMs00855506

Type: Neutral
Formula: C₁₇H₁₈N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1cc(ccc1)C)C

InChI:

InChI=1/C17H18N2/c1-12-5-4-6-15(7-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5982 kcal/mol

Physical Properties
Molecular Weight: 250.345 g/mol	logS: -4.88825	SlogP: 4.27626	Reactive groups: 0

Topological Properties
Globularity: 0.105739	Sterimol/B1: 1.969	Sterimol/B2: 3.02085	Sterimol/B3: 4.10097
Sterimol/B4: 8.25288	Sterimol/L: 13.4056

Surface and Volume Properties
Accessible surface: 490.666	Positive charged surface: 302.63	Negative charged surface: 188.036	Volume: 266.75
Hydrophobic surface: 452.42	Hydrophilic surface: 38.246

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.