MMsINC Database Search


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MMsINC code: MMs01582925

Type: Neutral
Formula: C₂₄H₁₇NO₂

SMILES:

O=C(C(C(=O)c1ccccc1)c1nc2c(cc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H17NO2/c26-23(18-10-3-1-4-11-18)22(24(27)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.09 kcal/mol

Physical Properties
Molecular Weight: 351.405 g/mol	logS: -6.23443	SlogP: 5.0842	Reactive groups: 0

Topological Properties
Globularity: 0.173956	Sterimol/B1: 3.06406	Sterimol/B2: 3.33829	Sterimol/B3: 4.92587
Sterimol/B4: 9.78099	Sterimol/L: 15.838

Surface and Volume Properties
Accessible surface: 613.983	Positive charged surface: 306.669	Negative charged surface: 301.346	Volume: 347.25
Hydrophobic surface: 557.43	Hydrophilic surface: 56.553

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs01582926
ENAMINE-ZINC05071613