MMsINC Database Search


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MMsINC code: MMs00485031

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

OC1CC(NC1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C15H16N2O2/c18-13-8-14(16-9-13)15(19)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16,18H,8-9H2,(H,17,19)/t13-,14+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3719 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.37986	SlogP: 1.5011	Reactive groups: 0

Topological Properties
Globularity: 0.0245457	Sterimol/B1: 2.89573	Sterimol/B2: 3.3692	Sterimol/B3: 4.19436
Sterimol/B4: 4.20297	Sterimol/L: 16.3469

Surface and Volume Properties
Accessible surface: 493.046	Positive charged surface: 316.404	Negative charged surface: 166.055	Volume: 251.125
Hydrophobic surface: 376.877	Hydrophilic surface: 116.169

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.