MMsINC Database Search


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MMsINC code: MMs00284097

Type: Neutral
Formula: C₂₆H₁₇NO₂

SMILES:

O(N=C1c2c(-c3c1cccc3)cccc2)C(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H17NO2/c28-26(20-16-14-19(15-17-20)18-8-2-1-3-9-18)29-27-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.913 kcal/mol

Physical Properties
Molecular Weight: 375.427 g/mol	logS: -8.95618	SlogP: 5.9434	Reactive groups: 0

Topological Properties
Globularity: 8.75979e-07	Sterimol/B1: 2.10119	Sterimol/B2: 2.10762	Sterimol/B3: 5.33339
Sterimol/B4: 5.6911	Sterimol/L: 20.4988

Surface and Volume Properties
Accessible surface: 652.092	Positive charged surface: 300.89	Negative charged surface: 328.641	Volume: 369
Hydrophobic surface: 594.068	Hydrophilic surface: 58.024

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.