MMsINC Database Search


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MMsINC code: MMs02344591

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(NC(=O)Nc1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C15H14N2O2/c1-11-6-5-7-12(10-11)14(18)17-15(19)16-13-8-3-2-4-9-13/h2-10H,1H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8448 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.05732	SlogP: 2.95692	Reactive groups: 0

Topological Properties
Globularity: 0.0111643	Sterimol/B1: 2.36427	Sterimol/B2: 2.58862	Sterimol/B3: 2.92086
Sterimol/B4: 5.70506	Sterimol/L: 16.9741

Surface and Volume Properties
Accessible surface: 496.815	Positive charged surface: 279.711	Negative charged surface: 217.103	Volume: 248.375
Hydrophobic surface: 404.836	Hydrophilic surface: 91.979

Pharmacophoric Properties
Hydrogen bond donors: 2	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.