MMsINC Database Search


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MMsINC code: MMs03807204

Type: Neutral
Formula: C₂₅H₂₆N₂O₂

SMILES:

OC1CN(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1Cc1ccccc1

InChI:

InChI=1/C25H26N2O2/c28-24-19-26(17-21-12-6-2-7-13-21)25(29)27(18-22-14-8-3-9-15-22)23(24)16-20-10-4-1-5-11-20/h1-15,23-24,28H,16-19H2/t23-,24+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7213 kcal/mol

Physical Properties
Molecular Weight: 386.495 g/mol	logS: -4.70382	SlogP: 4.62937	Reactive groups: 0

Topological Properties
Globularity: 0.137007	Sterimol/B1: 2.39427	Sterimol/B2: 3.71767	Sterimol/B3: 4.1235
Sterimol/B4: 10.8389	Sterimol/L: 15.0884

Surface and Volume Properties
Accessible surface: 654.128	Positive charged surface: 414.717	Negative charged surface: 239.411	Volume: 393
Hydrophobic surface: 600.236	Hydrophilic surface: 53.892

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.