MMsINC Database Search


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MMsINC code: MMs02278232

Type: Neutral
Formula: C₂₃H₂₅NO

SMILES:

OC(C(N(Cc1ccccc1)Cc1ccccc1)C)c1ccccc1

InChI:

InChI=1/C23H25NO/c1-19(23(25)22-15-9-4-10-16-22)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,25H,17-18H2,1H3/t19-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.733 kcal/mol

Physical Properties
Molecular Weight: 331.459 g/mol	logS: -4.9168	SlogP: 5.4392	Reactive groups: 0

Topological Properties
Globularity: 0.0798688	Sterimol/B1: 2.34339	Sterimol/B2: 3.15147	Sterimol/B3: 4.74374
Sterimol/B4: 8.38386	Sterimol/L: 16.2556

Surface and Volume Properties
Accessible surface: 578.457	Positive charged surface: 312.813	Negative charged surface: 265.644	Volume: 348.125
Hydrophobic surface: 514.199	Hydrophilic surface: 64.258

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02278233
NCID-ZINC01634170