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MMsINC code: MMs00482029

Type: Neutral
Formula: C₁₅H₁₈N₂O

SMILES:

O=C(Nc1cc2c(cc1)cccc2)C(N)C(C)C

InChI:

InChI=1/C15H18N2O/c1-10(2)14(16)15(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,16H2,1-2H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3446 kcal/mol

Physical Properties
Molecular Weight: 242.322 g/mol	logS: -3.88696	SlogP: 2.7616	Reactive groups: 0

Topological Properties
Globularity: 0.0716603	Sterimol/B1: 2.46823	Sterimol/B2: 3.87315	Sterimol/B3: 4.79442
Sterimol/B4: 5.46904	Sterimol/L: 14.9282

Surface and Volume Properties
Accessible surface: 473.481	Positive charged surface: 285.696	Negative charged surface: 178.097	Volume: 252.375
Hydrophobic surface: 353.147	Hydrophilic surface: 120.334

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00482030
BACHEM-ZINC00032354