MMsINC Database Search


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MMsINC code: MMs02755252

Type: Neutral
Formula: C₂₃H₁₇NO

SMILES:

O=C(Nc1cc2c(cc1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H17NO/c25-23(24-22-15-14-18-8-4-5-9-21(18)16-22)20-12-10-19(11-13-20)17-6-2-1-3-7-17/h1-16H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.127 kcal/mol

Physical Properties
Molecular Weight: 323.395 g/mol	logS: -7.65913	SlogP: 5.7591	Reactive groups: 0

Topological Properties
Globularity: 0.0101051	Sterimol/B1: 2.49053	Sterimol/B2: 2.96052	Sterimol/B3: 4.06437
Sterimol/B4: 4.27477	Sterimol/L: 20.5212

Surface and Volume Properties
Accessible surface: 589.888	Positive charged surface: 288.696	Negative charged surface: 279.938	Volume: 327
Hydrophobic surface: 553.575	Hydrophilic surface: 36.313

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.