MMsINC Database Search


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MMsINC code: MMs01110604

Type: Neutral
Formula: C₁₆H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)NC

InChI:

InChI=1/C16H18N2O/c1-17-16(19)18(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1978 kcal/mol

Physical Properties
Molecular Weight: 254.333 g/mol	logS: -3.03414	SlogP: 3.561	Reactive groups: 0

Topological Properties
Globularity: 0.088056	Sterimol/B1: 1.969	Sterimol/B2: 3.0442	Sterimol/B3: 3.73339
Sterimol/B4: 8.71457	Sterimol/L: 14.3642

Surface and Volume Properties
Accessible surface: 498.007	Positive charged surface: 314.183	Negative charged surface: 183.824	Volume: 266.5
Hydrophobic surface: 458.133	Hydrophilic surface: 39.874

Pharmacophoric Properties
Hydrogen bond donors: 1	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.