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MMsINC code: MMs02109476

Type: Neutral
Formula: C₂₆H₂₅NO

SMILES:

OC/1/C(/CN(C\C\1=C\c1ccccc1)Cc1ccccc1)=C\c1ccccc1

InChI:

InChI=1/C26H25NO/c28-26-24(16-21-10-4-1-5-11-21)19-27(18-23-14-8-3-9-15-23)20-25(26)17-22-12-6-2-7-13-22/h1-17,26,28H,18-20H2/b24-16+,25-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.181 kcal/mol

Physical Properties
Molecular Weight: 367.492 g/mol	logS: -5.76925	SlogP: 5.2967	Reactive groups: 0

Topological Properties
Globularity: 0.139869	Sterimol/B1: 2.15345	Sterimol/B2: 3.02345	Sterimol/B3: 4.63485
Sterimol/B4: 9.10308	Sterimol/L: 16.2405

Surface and Volume Properties
Accessible surface: 637.26	Positive charged surface: 389.87	Negative charged surface: 247.39	Volume: 384.625
Hydrophobic surface: 590.687	Hydrophilic surface: 46.573

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02109477
KEYORGANICS-ZINC01406467