MMsINC Database Search


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MMsINC code: MMs00138022

Type: Neutral
Formula: C₁₅H₁₈N₂O

SMILES:

Oc1ccccc1CNc1ccc(N(C)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7351 kcal/mol

Physical Properties
Molecular Weight: 242.322 g/mol	logS: -2.5147	SlogP: 3.3367	Reactive groups: 0

Topological Properties
Globularity: 0.0611172	Sterimol/B1: 2.73277	Sterimol/B2: 3.60555	Sterimol/B3: 4.2164
Sterimol/B4: 4.6698	Sterimol/L: 16.3017

Surface and Volume Properties
Accessible surface: 497.043	Positive charged surface: 349.208	Negative charged surface: 147.835	Volume: 256
Hydrophobic surface: 437.534	Hydrophilic surface: 59.509

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.