MMsINC Database Search


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MMsINC code: MMs03241630

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

Oc1cc(c2n(c3c(c2c1)cccc3)C)-c1ccccc1

InChI:

InChI=1/C19H15NO/c1-20-18-10-6-5-9-15(18)17-12-14(21)11-16(19(17)20)13-7-3-2-4-8-13/h2-12,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1213 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -5.4799	SlogP: 5.0633	Reactive groups: 0

Topological Properties
Globularity: 0.0577301	Sterimol/B1: 2.57567	Sterimol/B2: 3.13396	Sterimol/B3: 3.35067
Sterimol/B4: 8.37784	Sterimol/L: 14.2634

Surface and Volume Properties
Accessible surface: 487.249	Positive charged surface: 277.422	Negative charged surface: 197.396	Volume: 274
Hydrophobic surface: 435.872	Hydrophilic surface: 51.377

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.