MMsINC Database Search


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MMsINC code: MMs01513362

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

Oc1cc(ccc1NC(=O)c1cc2c(cc1)cccc2)C

InChI:

InChI=1/C18H15NO2/c1-12-6-9-16(17(20)10-12)19-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h2-11,20H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8653 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -5.34472	SlogP: 4.10612	Reactive groups: 0

Topological Properties
Globularity: 0.0117518	Sterimol/B1: 2.48104	Sterimol/B2: 2.91312	Sterimol/B3: 3.42693
Sterimol/B4: 5.02798	Sterimol/L: 17.4227

Surface and Volume Properties
Accessible surface: 526.374	Positive charged surface: 289.192	Negative charged surface: 226.95	Volume: 272.25
Hydrophobic surface: 445.846	Hydrophilic surface: 80.528

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.