MMsINC Database Search


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MMsINC code: MMs02026788

Type: Neutral
Formula: C₂₃H₂₃N₃O

SMILES:

O=C(N(c1ccccc1)c1ccccc1)N1CCN(CC1)c1ccccc1

InChI:

InChI=1/C23H23N3O/c27-23(25-18-16-24(17-19-25)20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=256.348 kcal/mol

Physical Properties
Molecular Weight: 357.457 g/mol	logS: -4.91066	SlogP: 4.7669	Reactive groups: 0

Topological Properties
Globularity: 0.0846335	Sterimol/B1: 2.2369	Sterimol/B2: 4.88816	Sterimol/B3: 5.15841
Sterimol/B4: 6.56655	Sterimol/L: 17.4269

Surface and Volume Properties
Accessible surface: 606.328	Positive charged surface: 375.2	Negative charged surface: 231.128	Volume: 356.125
Hydrophobic surface: 576.454	Hydrophilic surface: 29.874

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.