MMsINC Database Search


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MMsINC code: MMs02213710

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

O(C(c1ccccc1)c1ccccc1)CCN(CC)CC

InChI:

InChI=1/C19H25NO/c1-3-20(4-2)15-16-21-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7456 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -3.82129	SlogP: 4.2299	Reactive groups: 0

Topological Properties
Globularity: 0.181333	Sterimol/B1: 2.46295	Sterimol/B2: 3.96693	Sterimol/B3: 5.6064
Sterimol/B4: 7.44347	Sterimol/L: 13.2557

Surface and Volume Properties
Accessible surface: 572.54	Positive charged surface: 380.126	Negative charged surface: 192.414	Volume: 315.25
Hydrophobic surface: 532.29	Hydrophilic surface: 40.25

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02213711
NCID-ZINC00190046