MMsINC Database Search


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MMsINC code: MMs00963188

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O=C1N(CCc2ccccc2)C(=O)N(c2c1cccc2)Cc1c(cc(cc1C)C)C

InChI:

InChI=1/C26H26N2O2/c1-18-15-19(2)23(20(3)16-18)17-28-24-12-8-7-11-22(24)25(29)27(26(28)30)14-13-21-9-5-4-6-10-21/h4-12,15-16H,13-14,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.367 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -6.74495	SlogP: 5.70333	Reactive groups: 0

Topological Properties
Globularity: 0.106944	Sterimol/B1: 2.2879	Sterimol/B2: 2.48121	Sterimol/B3: 6.08551
Sterimol/B4: 11.4715	Sterimol/L: 15.8861

Surface and Volume Properties
Accessible surface: 667.314	Positive charged surface: 392.776	Negative charged surface: 274.538	Volume: 402.125
Hydrophobic surface: 623.403	Hydrophilic surface: 43.911

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: 1

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Ions/Tautomers related molecules: no related molecules available.