MMsINC Database Search


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MMsINC code: MMs02687972

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O=C(NC1CC1)Cc1cc2c(cc1)cccc2

InChI:

InChI=1/C15H15NO/c17-15(16-14-7-8-14)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4624 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -4.02274	SlogP: 2.66087	Reactive groups: 0

Topological Properties
Globularity: 0.058966	Sterimol/B1: 2.49951	Sterimol/B2: 3.83615	Sterimol/B3: 4.24215
Sterimol/B4: 4.59598	Sterimol/L: 15.0674

Surface and Volume Properties
Accessible surface: 480.94	Positive charged surface: 286.339	Negative charged surface: 183.529	Volume: 233.75
Hydrophobic surface: 393.654	Hydrophilic surface: 87.286

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.