MMsINC Database Search


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MMsINC code: MMs00607220

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(N1CCCC1)c1ccccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-18(14-15-8-2-1-3-9-15)20-17-11-5-4-10-16(17)19(23)21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4461 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.00886	SlogP: 3.10377	Reactive groups: 0

Topological Properties
Globularity: 0.0522112	Sterimol/B1: 3.47231	Sterimol/B2: 3.89259	Sterimol/B3: 4.02464
Sterimol/B4: 6.24539	Sterimol/L: 17.2764

Surface and Volume Properties
Accessible surface: 577.146	Positive charged surface: 382.106	Negative charged surface: 195.041	Volume: 308.875
Hydrophobic surface: 521.783	Hydrophilic surface: 55.363

Pharmacophoric Properties
Hydrogen bond donors: 1	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.