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MMsINC code: MMs02673591

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(Nc1ccc(cc1)C)NCc1ccccc1

InChI:

InChI=1/C15H16N2O/c1-12-7-9-14(10-8-12)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6591 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.67001	SlogP: 3.58312	Reactive groups: 0

Topological Properties
Globularity: 0.0355508	Sterimol/B1: 3.23792	Sterimol/B2: 3.26967	Sterimol/B3: 3.42472
Sterimol/B4: 4.22991	Sterimol/L: 17.1577

Surface and Volume Properties
Accessible surface: 505.222	Positive charged surface: 307.172	Negative charged surface: 198.049	Volume: 246.625
Hydrophobic surface: 435.945	Hydrophilic surface: 69.277

Pharmacophoric Properties
Hydrogen bond donors: 2	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.