MMsINC Database Search


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MMsINC code: MMs02144326

Type: Neutral
Formula: C₁₆H₁₅NO₂

SMILES:

O=C(Cc1ccc(cc1)C(=O)N)c1ccccc1C

InChI:

InChI=1/C16H15NO2/c1-11-4-2-3-5-14(11)15(18)10-12-6-8-13(9-7-12)16(17)19/h2-9H,10H2,1H3,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7659 kcal/mol

Physical Properties
Molecular Weight: 253.301 g/mol	logS: -4.2452	SlogP: 2.51929	Reactive groups: 0

Topological Properties
Globularity: 0.0680491	Sterimol/B1: 2.25569	Sterimol/B2: 3.51928	Sterimol/B3: 3.8598
Sterimol/B4: 6.3092	Sterimol/L: 16.111

Surface and Volume Properties
Accessible surface: 485.645	Positive charged surface: 283.664	Negative charged surface: 201.981	Volume: 250.625
Hydrophobic surface: 365.303	Hydrophilic surface: 120.342

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.