MMsINC Database Search


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MMsINC code: MMs01180421

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

o1cccc1C(=O)N(Cc1ccncc1)CCc1ccccc1

InChI:

InChI=1/C19H18N2O2/c22-19(18-7-4-14-23-18)21(15-17-8-11-20-12-9-17)13-10-16-5-2-1-3-6-16/h1-9,11-12,14H,10,13,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4417 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -3.51572	SlogP: 3.82607	Reactive groups: 0

Topological Properties
Globularity: 0.0974425	Sterimol/B1: 2.87691	Sterimol/B2: 3.36065	Sterimol/B3: 4.19981
Sterimol/B4: 8.77955	Sterimol/L: 14.6665

Surface and Volume Properties
Accessible surface: 547.646	Positive charged surface: 334.849	Negative charged surface: 212.798	Volume: 308.625
Hydrophobic surface: 498.38	Hydrophilic surface: 49.266

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.