MMsINC Database Search


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MMsINC code: MMs00262318

Type: Neutral
Formula: C₂₅H₂₁NO

SMILES:

O=C(N(Cc1ccccc1)c1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C25H21NO/c1-19-14-16-22(17-15-19)25(27)26(18-20-8-3-2-4-9-20)24-13-7-11-21-10-5-6-12-23(21)24/h2-17H,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.192 kcal/mol

Physical Properties
Molecular Weight: 351.449 g/mol	logS: -7.36858	SlogP: 6.26162	Reactive groups: 0

Topological Properties
Globularity: 0.29114	Sterimol/B1: 3.66324	Sterimol/B2: 4.93429	Sterimol/B3: 5.01198
Sterimol/B4: 7.028	Sterimol/L: 14.4113

Surface and Volume Properties
Accessible surface: 581.58	Positive charged surface: 351.741	Negative charged surface: 228.428	Volume: 359.25
Hydrophobic surface: 550.575	Hydrophilic surface: 31.005

Pharmacophoric Properties
Hydrogen bond donors: 0	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.